UCSF

ZINC38276790

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 5.71 -40.29 2 4 1 51 250.318 5
Hi High (pH 8-9.5) 1.57 3.28 -6.61 1 4 0 50 249.31 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0228035A2; EP0266576A2; US4786649; US4954507; US4965273 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )